Hi! I have a question with regard to a system that I am attempting to model. The N-terminal of chain of the protein was not resolved crystallographically but was later solved by NMR. Now my plan is to append the NMR structure on to chain A of the protein and perform simulated annealing only for the appended NMR fragment. To help it find it biologically relevent orientation in the system I could also apply distance restraints that I have. Is this possible in Gromacs? thanks JJ
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